SCHEMBL4845206

SCHEMBL4845206

CN(C)Cc1ccccc1-c1ccc(CC23CCCCN2C(=O)N(c2cc(Cl)cc(Cl)c2)C3=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
BACE1 P56817 8/20 0.37
ITGAL P20701 3/20 0.35
ITGB2 P05107 2/20 0.35
ICAM1 P05362 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
F10 P00742 4/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
MLNR O43193 1/20 0.33
F2 P00734 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4843286 0.89 FPR1 (0.35) ITGALITGB2ICAM1OPRM1OPRK1
SCHEMBL4841624 0.89 ITGAL (0.35) ITGALITGB2ICAM1OPRM1OPRK1
SCHEMBL4848934 0.88 OPRM1 (0.33) GRM2ITGALITGB2ICAM1OPRM1
SCHEMBL4848701 0.87 REN (0.34) ITGALITGB2ICAM1CYP3A4MLNR
SCHEMBL4848901 0.84 MEN1 (0.38) ITGALITGB2ICAM1
SCHEMBL4844697 0.84 PTGER4 (0.40)
Dimethylamine SCHEMBL4845222 0.84 ITGAL (0.36) ITGALITGB2ICAM1OPRM1OPRK1
SCHEMBL4841738 0.84 ITGAL (0.35) ITGALITGB2ICAM1OPRM1OPRK1
SCHEMBL4845247 0.83 REN (0.34) ITGALITGB2ICAM1ITGB1ITGA4
SCHEMBL4848531 0.82 AGTR1 (0.44)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2005-07-07 US disclosed
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 GRM2 3350/4885BACE1 672/4885ITGAL 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.